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Hire Harjot K.

India

USD 25 /hr

Computational Drug Discovery Consultant | Molecular Docking, Virtual Screening & Network Pharmacology

Profile Summary

I work with researchers, academic groups, and early-stage biotech teams to support computational drug discovery projects where experimental resources are limited and in silico prioritization is critical. My core expertise lies in structure-based virtual screening, molecular docking, and network pharmacology-driven target prioritization. I specialize in natural product-based drug discovery, with particular experience in neurodegenerative and neurological disease research. I focus on translating complex biological and chemical data into clear, actionable insights that can guide downstream experimental design. My deliverables typically include ranked compound libraries, target-pathway relationships, and biologically interpretable visualizations that are suitable for reports, grant applications, and publications. From a technical perspective, I use Python for data handling and workflow support, and R for pathway enrichment analysis and data visualization to strengthen network-based interpretation. I emphasize reproducibility, clarity, and transparent methodology in all computational outputs. Having worked on multiple peer-reviewed research projects, I understand the expectations of academic and biotech stakeholders and aim to provide reliable, publication-ready computational support that integrates seamlessly with experimental and translational research efforts.

Subject Matter Expertise

• ★ Drug Discovery
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Computational Chemistry
• ☆ Data Analysis
• ☆ Data Visualization
• ☆ Bioinformatics
• ☆ Structural Bioinformatics
• ☆ R
• ☆ Drug Target Identification

Services

• Data & AI

Data & AI Data Insights

Work Experience

Researcher, Doctoral student

CSIR-Indian Institute of Integrative Medicine (CSIR-IIIM)

August 2020 - Present

Doctoral Student

Academy of Scientific and Innovative Research

August 2020 - Present

Education

Doctor of Philosophy(PhD)- Biological Sciences (Discovery Informatics, NPMC Division)

Indian Institute of Integrative Medicine

August 2020 - Present

MSc Honours (Department of Biotechnology)

Punjabi University

2017 - 2019

Bachelor of Science (BSc) (BIOTECHNOLOGY)

Hans Raj Mahila Maha Vidyalaya

2014 - 2017

Certifications

• Programming for Everybody (Getting Started with Python)

  University of Michigan (via Coursera)

  https://coursera.org/verify/PHXRBQGFUVFB

  January 2025 - Present

• Python Data Structures

  University of Michigan (via Coursera)

  https://coursera.org/verify/XME86VDQG7ZQ.

  January 2025 - Present

Publications

JOURNAL ARTICLE

Harjot Kaur, Monika Gupta, Zabeer Ahmed, Amit Nargotra (2025). Psychoactive Plant Database: a phytochemical resource for neurological drug discovery . Frontiers in Pharmacology.

Harjot Kaur, Rigzin Dolkar, Gourav Paudwal, Davinder Singh, Chittaranjan Behera, Sumera Banoo Malik, Syed Mudassir Ali, Amit Nargotra, Ravi Shankar, Shashank K. Singh, et al. (2025). Mechanistic Approach into 1,2,3-triazoles-based IIIM(S)-RS98 Mediated Apoptosis in Lung Cancer Cells . The AAPS Journal.

Harjot Kaur (2024). Exploring natural product library as potential target against sterol C-24 methyltransferase protein of Leishmania donovani .

Harjot Kaur, Manas Ranjan Barik, Tanzeeba Amin, Harshita Tiwari, Gurleen Kour, Anindya Goswami, Zabeer Ahmed, Amit Nargotra (2024). Network pharmacology and in vitro validation to elucidate the molecular mechanism of Boswellia serrata phytoconstituents on inflammation . Journal of Proteins and Proteomics.

Harjot Kaur, Harshita Tiwari, Amit Kumar, Manas Ranjan Barik, Shubham Mahajan, Monu Kumar Shukla, Monika Gupta, Govind Yadav, Amit Nargotra (2023). Repositioning the existing drugs for neuroinflammation: a fusion of computational approach and biological validation to counter the Parkinson’s disease progression . Molecular Diversity.

Harjot Kaur, Prabhjot Kaur, Shivani Attri, Davinder Singh, Farhana Rashid, Sharabjit Singh, Avinash Kumar, Neena Bedi, Saroj Arora (2023). Neuromodulatory effect of 4-(methylthio)butyl isothiocyanate against 3-nitropropionic acid induced oxidative impairments in human dopaminergic SH-SY5Y cells via BDNF/CREB/TrkB pathway . Scientific Reports.